Molecular and Electronic Structure, and Electrochemical Study of Oxometal(IV) Tetrabenzoporphyrins, [TBPM] (M = VO, TiO)

  • Daniil N. Finogenov Ивановский Государственный Химико-технологический университет
  • Andrey I. Koptyaev Институт физики микроструктур Российской академии наук
  • Alexey V. Eroshin Ивановский государственный химико-технологический университет
  • Alina S. Kopylova Ивановский государственный химико-технологический университет
  • Artem A. Nabasov Ивановский государственный химико-технологический университет
  • Nikolay E. Galanin Ивановский государственный химико-технологический университет
  • Yuriy A. Zhabanov Ивановский государственный химико-технологический университет
  • Pavel A. Stuzhin
DOI: https://doi.org/10.6060/mhc235153f
Ключевые слова: тетрабензопорфирин, циклическая вольтамперометрия, sTDDFT, электронные спектры

Аннотация

Complexes of tetrabenzoporphyrin (TBP) with vanadyl and titanyl were prepared by complexation directly from metal free H2TBP. They were characterized using spectral and electrochemical methods and peculiarities of their molecular and electronic structure were investigated by DFT calculations. Properties of MTBP complexes were compared with corresponding complexes of meso- and b-substituted porphyrins, porphyrazines and phthalocyanines. It is shown that fusion of benzene rings strongly facilitates the oxidation process which occurs at +0.3 V, what is much easier than in the case of the corresponding porphyrins (by 0.4 - 0.5 V) and phthalocyanines (by 0.5-0.7 V). At the same time the reduction of tetrabenzoporhyrin complexes is observed at similar potentials as in the case of meso-aryl and b-alkyl substituted porphyrins (0.9-1.2 V), and by 0.4-0.6 V more difficult than in the case of phthalocyanine complexes. The obtained data evidence that VO and TiO complexes of tetrabenzoporphyrins can be used as donors in organic electronics.

Литература

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Опубликован
2024-05-15
Как цитировать
Finogenov, D., Koptyaev, A., Eroshin, A., Kopylova, A., Nabasov, A., Galanin, N., Zhabanov, Y., & Stuzhin, P. (2024). Molecular and Electronic Structure, and Electrochemical Study of Oxometal(IV) Tetrabenzoporphyrins, [TBPM] (M = VO, TiO). Макрогетероциклы/Macroheterocycles, 17(1), 22-28. https://doi.org/10.6060/mhc235153f
Выпуск
Том 17 № 1 (2024)
Раздел
Порфирины